CID 6333

Bromochloromethane

Structural Information

Molecular Formula

SMILES

C(Cl)Br

InChI

InChI=1S/CH2BrCl/c2-1-3/h1H2

InChIKey

JPOXNPPZZKNXOV-UHFFFAOYSA-N

Compound name

bromo(chloro)methane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 39
References: 9266
Patents: 127.90284 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	128.910116	111.1
[M+Na]+	150.892058	124.9
[M-H]-	126.895564	114.9
[M+NH4]+	145.936663	137.6
[M+K]+	166.865998	114.1
[M+H-H2O]+	110.900100	114.0
[M+HCOO]-	172.901041	129.6
[M+CH3COO]-	186.916691	168.0
[M+Na-2H]-	148.877506	121.8
[M]+	127.90229142	130.5
[M]-	127.90338858	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe